[1-(6-butylpyridazin-3-yl)piperidin-4-yl] 2-ethoxybenzoate

Systemtic Name: [1-(6-butylpyridazin-3-yl)piperidin-4-yl] 2-ethoxybenzoate Openeye Name: [1-(6-butylpyridazin-3-yl)-4-piperidyl] 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic acid [1-(6-butyl-3-pyridazinyl)-4-piperidinyl] ester IUPAC Name: [1-(6-butylpyridazin-3-yl)piperidin-4-yl] 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid [1-(6-butylpyridazin-3-yl)-4-piperidyl] ester Formula: C22H29N3O3 MolecularWeight: 383.48396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(C=C1)N2CCC(CC2)OC(=O)C3=CC=CC=C3OCC

Isomeric SMILES

CCCCC1=NN=C(C=C1)N2CCC(CC2)OC(=O)C3=CC=CC=C3OCC

InChI

InChI=1S/C22H29N3O3/c1-3-5-8-17-11-12-21(24-23-17)25-15-13-18(14-16-25)28-22(26)19-9-6-7-10-20(19)27-4-2/h6-7,9-12,18H,3-5,8,13-16H2,1-2H3